S-[2-(1,3-thiazol-3-ium-3-yl)ethyl] octadecanethioate

Systemtic Name: S-[2-(1,3-thiazol-3-ium-3-yl)ethyl] octadecanethioate Openeye Name: S-(2-thiazol-3-ium-3-ylethyl) octadecanethioate CAS Name: octadecanethioic acid S-[2-(3-thiazol-3-iumyl)ethyl] ester IUPAC Name: S-[2-(1,3-thiazol-3-ium-3-yl)ethyl] octadecanethioate Traditional Name: octadecanethioic acid S-(2-thiazol-3-ium-3-ylethyl) ester Formula: C23H42NOS2+ MolecularWeight: 412.71568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)SCC[N+]1=CSC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)SCC[N+]1=CSC=C1

InChI

InChI=1S/C23H42NOS2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(25)27-21-19-24-18-20-26-22-24/h18,20,22H,2-17,19,21H2,1H3/q+1